Chemical Properties of Dichlorphen, O-isovaleryl-

InChI

InChI=1S/C18H18Cl2O3/c1-11(2)7-18(22)23-17-6-4-15(20)10-13(17)8-12-9-14(19)3-5-16(12)21/h3-6,9-11,21H,7-8H2,1-2H3

InChI Key

HQWCCOALJIAXON-UHFFFAOYSA-N

Formula

C18H18Cl2O3

SMILES

CC(C)CC(=O)Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O

Molecular Weight¹

353.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.31	kJ/mol	Joback Calculated Property
log10WS	-5.35		Relay (1.0) Calculated Property
logPoct/wat	5.241		Crippen Calculated Property
McVol	254.750	ml/mol	McGowan Calculated Property
Inp	[2666.00; 2666.00]
Inp	2666.00		NIST
Inp	2666.00		NIST
Tfus	364.18	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[340.19; 749.40]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.20200e+00
Coefficient B			1.49684e+00
Coefficient C			-1.02244e-03
Coefficient D			2.72800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	340.19	J/mol×K	273.00	Calculated Property
Cp,gas	415.86	J/mol×K	353.78	Calculated Property
Cp,gas	481.97	J/mol×K	434.56	Calculated Property
Cp,gas	539.38	J/mol×K	515.33	Calculated Property
Cp,gas	588.95	J/mol×K	596.11	Calculated Property
Cp,gas	631.54	J/mol×K	676.89	Calculated Property
Cp,gas	668.02	J/mol×K	757.67	Calculated Property
Cp,gas	699.25	J/mol×K	838.44	Calculated Property
Cp,gas	726.09	J/mol×K	919.22	Calculated Property
Cp,gas	749.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000617; 0.0000057]	Pa×s	[581.91; 794.06]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.86318e+01
Coefficient B			5.20134e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			581.91
Temperature range, max.			794.06
η	0.0000617	Pa×s	581.91	Calculated Property
η	0.0000436	Pa×s	605.48	Calculated Property
η	0.0000316	Pa×s	629.05	Calculated Property
η	0.0000234	Pa×s	652.63	Calculated Property
η	0.0000177	Pa×s	676.20	Calculated Property
η	0.0000137	Pa×s	699.77	Calculated Property
η	0.0000107	Pa×s	723.34	Calculated Property
η	0.0000086	Pa×s	746.91	Calculated Property
η	0.0000069	Pa×s	770.49	Calculated Property
η	0.0000057	Pa×s	794.06	Calculated Property

Similar Compounds

Find more compounds similar to Dichlorphen, O-isovaleryl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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